[1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate

Systemtic Name: [1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O4S/c24-18(14-3-5-21-6-4-14)16-17(15-2-1-13-28-15)23(20(26)19(16)25)8-7-22-9-11-27-12-10-22/h1-6,13,17,24H,7-12H2